| CAS Number | 50775-02-5 |
| Catalog Number | AG01AUP7(AGN-PC-0NHGHN) |
| Chemical Name | 7-Bromoheptan-2-one |
| IUPAC Name | 7-bromoheptan-2-one |
| InChI | InChI=1S/C7H13BrO/c1-7(9)5-3-2-4-6-8/h2-6H2,1H3 |
| InChI Key | OBHYAAHXAGULJT-UHFFFAOYSA-N |
| MDL Number | MFCD20621204 |
| Molecular Formula | C7H13BrO |
| Molecular Weight | 193.0815 |
| SMILES | CC(CCCCCBr)=O |
| Synonyms | 7-bromoheptan-2-one,
50775-02-5,
7-Bromo-2-heptanone,
2-Heptanone, 7-bromo-,
5-bromopentyl methyl ketone,
SCHEMBL5615302,
CTK1G6083,
DTXSID70458317,
ZINC64633970,
CID11194868,
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| Complexity | 81 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.084g/mol |
| Monoisotopic Mass | 192.015g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number